SCHEMBL1616237

SCHEMBL1616237

COc1cc(N)ccc1-c1cnc(C)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.48
IMPDH1 P20839 1/20 0.48
NPSR1 Q6W5P4 1/20 0.45
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
MAPT P10636 3/20 0.41
GAA P10253 3/20 0.41
KDM4E B2RXH2 3/20 0.41
MAPK1 P28482 2/20 0.40
HTT P42858 2/20 0.40
TSHR P16473 1/20 0.40
PDE10A Q9Y233 1/20 0.40
NR4A1 P22736 1/20 0.40
PIK3CD O00329 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10913114 0.80 IMPDH2 (0.48) IMPDH2IMPDH1MAPTGAAKDM4E
SCHEMBL1616770 0.76 PSEN1 (0.47) IMPDH2IMPDH1NPSR1PSEN1PSEN2
SCHEMBL7899110 0.75 NPSR1 (0.39) NPSR1PIK3CDPIK3CBPIK3CGPIK3C3
SCHEMBL1616771 0.74 NPSR1 (0.42) NPSR1PSEN1PSEN2APH1BNCSTN
SCHEMBL30839714 0.74 MAPT (0.59) IMPDH2IMPDH1MAPTGAAKDM4E
SCHEMBL347390 0.74 MAPT (0.59) IMPDH2IMPDH1MAPTGAAKDM4E
SCHEMBL4098953 0.74 IMPDH2 (0.52) IMPDH2IMPDH1MAPTGAAKDM4E
SCHEMBL1617466 0.73 PSEN1 (0.45) IMPDH2IMPDH1NPSR1PSEN1PSEN2
Hydrochloric Acid SCHEMBL10604756 0.72 MAPT (0.57) IMPDH2IMPDH1MAPTGAAKDM4E
SCHEMBL10915722 0.72 APP (0.43) IMPDH2IMPDH1MAPTGAAKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2958919-B1 DIHYDROPTERIDINONES I BOEHRINGER INGELHEIM INT (DE) 2019-05-22 EP disclosed
US-9006226-B2 Dihydropteridinones I BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-14 US disclosed
US-9006226-B2 Dihydropteridinones I BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-14 US disclosed
US-20150094311-A1 NOVEL SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS GAMMA SECRETASE MODULATORS CELLZOME LTD (GB) 2015-04-02 US disclosed
US-8962834-B2 Modulators of amyloid beta HOFFMANN-LA ROCHE INC. (US) 2015-02-24 US disclosed
US-8946426-B2 Substituted bicyclic heterocyclic compounds as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2015-02-03 US disclosed
WO-2014127815-A1 DIHYDROPTERIDINONES I BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-08-28 WO disclosed
US-20130225549-A1 DIHYDROPTERIDINONES I BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-29 US disclosed
US-20130225549-A1 DIHYDROPTERIDINONES I BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-29 US disclosed
EP-2257541-B1 MODULATORS FOR AMYLOID BETA HOFFMANN LA ROCHE (CH) 2013-08-14 EP disclosed
US-20130190302-A1 MODULATORS OF AMYLOID BETA HOFFMANN-LA ROCHE INC. (US) 2013-07-25 US disclosed
WO-2012030952-A3 REDUCING RIPPLE CURRENT IN A SWITCHED-MODE POWER CONVERTER EMPLOYING A BRIDGE TOPOLOGY TEXAS INSTRUMENTS INCORPORATED (US) 2012-05-10 WO disclosed
EP-2231629-B1 MODULATORS FOR AMYLOID BETA HOFFMANN LA ROCHE (CH) 2011-11-30 EP disclosed
US-7923450-B2 Modulators for amyloid beta HOFFMANN-LA ROCHE INC. (US) 2011-04-12 US disclosed
EP-2257541-A1 MODULATORS FOR AMYLOID BETA F. Hoffmann-La Roche AG (CH) 2010-12-08 EP disclosed
EP-2231629-A1 MODULATORS FOR AMYLOID BETA F. Hoffmann-La Roche AG (CH) 2010-09-29 EP disclosed
US-20090215759-A1 MODULATORS FOR AMYLOID BETA HOFFMANN-LA ROCHE, INC. 2009-08-27 US disclosed
WO-2009103652-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2009-08-27 WO disclosed
WO-2009087127-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2009-07-16 WO disclosed
US-20090181965-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2009-07-16 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130225549-A1 DIHYDROPTERIDINONES I BACE1, APP, BACE2 IMPDH2 2317/4885IMPDH1 2141/4885NPSR1 849/4885
US-20150094311-A1 NOVEL SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS GAMMA SECRETASE MODULATORS BACE1, BACE2, APH1A IMPDH2 3553/4885IMPDH1 3421/4885NPSR1 670/4885
US-20090181965-A1 MODULATORS FOR AMYLOID BETA APP, PSEN1, BACE1 IMPDH2 2243/4885IMPDH1 1662/4885NPSR1 863/4885
US-20090215759-A1 MODULATORS FOR AMYLOID BETA APP, PSEN1, APOB IMPDH2 1397/4885IMPDH1 1067/4885NPSR1 2307/4885
US-20130190302-A1 MODULATORS OF AMYLOID BETA APP, PSEN1, APOB IMPDH2 1430/4885IMPDH1 1072/4885NPSR1 2513/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.